[phenixbb] helical structure - Real space refinement

Pavel Afonine pafonine at lbl.gov
Thu Feb 1 09:41:38 PST 2024


Hi Dmitry,


if your model is composed of chains related by some rotation/translation 
(does not matter what symmetry), you can ask Phenix real-space 
refinement to identify and use that symmetry as "NCS" constraints (yes, 
NCS is a legacy term from Xtallography!). Aprart from this there isn't 
anything particular.. Alternatively, you can manually specify the master 
and symmetry related chains when setting up refinement job.


Pavel


On 2/1/24 02:48, Dmitry Semchonok wrote:
> Dear colleagues,
>
> Is there any specific procedure for Real space refinement in Phenix, 
> having a map and model when working with helical structure?
>
> Many thanks
>
> Kind regard,
> Dmitry
>
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